SCHEMBL4670748

SCHEMBL4670748

Cc1oc2ccccc2c1C(=O)N(Cc1ccccc1)Cc1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.41
RAB9A P51151 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PRNP P04156 1/20 0.33
SLC26A4 O43511 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4674098 0.92 PTPN1 (0.45) PTPN1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4673613 0.89 PTPN1 (0.54) PTPN1THRATHRB
SCHEMBL4670378 0.88 PTPN1 (0.40) PTPN1RAB9AMEN1KMT2AMAPT
SCHEMBL4670301 0.84 PTPN1 (0.44) PTPN1RAB9ACASP3SENP8SENP7
SCHEMBL4670790 0.83 PTPN1 (0.44) PTPN1RAB9AMAPTSMN1; SMN2CYP2C19
SCHEMBL4676141 0.81 PTPN1 (0.43) PTPN1RAB9AALDH1A1MAPTPRNP
SCHEMBL4674079 0.80 PTPN1 (0.52) PTPN1RAB9AMAPTSMN1; SMN2THRA
SCHEMBL4672999 0.80 PTPN1 (0.47) PTPN1MEN1KMT2AALDH1A1MAPT
SCHEMBL4675976 0.79 PTPN1 (0.39) PTPN1RAB9AMAPTPRNPSMN1; SMN2
SCHEMBL4676179 0.79 NCEH1 (0.40) PTPN1MEN1KMT2AMAPTPRNP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US claimed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US claimed
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 PTPN1 885/4885RAB9A 4152/4885CASP3 917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.